Geometry & MOs

Info

ID:	310696
PubChem CID:	126584372
Reduced:	FSO3N4C23H29 (1)
Stoich.:	ABC3D4E23F29 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-129.79
Dipole, Da:	8.11
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(3-oxobutan-2-ylamino)propanoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)NCCNS(=O)(=O)C1=CC=C(C=C1)C2=CNC3=C2C=CC(=C3)F

DOS

IR

Vibrations